KEGG   COMPOUND: C19561
Entry
C19561                      Compound                               

Name
7-Hydroxymethyl-12-methylbenz[a]anthracene;
12-Methylbenz[a]anthracene-7-methanol
Formula
C20H16O
Exact mass
272.1201
Mol weight
272.3404
Structure
Reaction
Pathway
map00980  Metabolism of xenobiotics by cytochrome P450
map05204  Chemical carcinogenesis
Enzyme
1.14.14.-       2.8.2.14
Other DBs
CAS: 568-75-2
PubChem: 124490233
ChEBI: 82559
KCF data

ATOM        21
            1   C8x C    18.6900  -19.0401
            2   C8x C    18.6900  -20.4401
            3   C8x C    19.9024  -21.1401
            4   C8y C    21.1149  -20.4401
            5   C8y C    21.1149  -19.0401
            6   C8x C    19.9024  -18.3401
            7   C8y C    22.3273  -21.1401
            8   C8y C    23.5397  -20.4401
            9   C8y C    23.5397  -19.0401
            10  C8y C    22.3273  -18.3401
            11  C8x C    24.7523  -21.1401
            12  C8x C    25.9647  -20.4401
            13  C8y C    25.9647  -19.0401
            14  C8y C    24.7523  -18.3401
            15  C8x C    27.1771  -18.3401
            16  C8x C    27.1771  -16.9401
            17  C8x C    25.9647  -16.2401
            18  C8x C    24.7523  -16.9401
            19  C1a C    22.3273  -16.9401
            20  C1b C    22.3273  -22.5401
            21  O1a O    23.5417  -23.2412
BOND        24
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 2
            7     4   7 2
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 2
            12    8  11 2
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16    9  14 2
            17   13  15 1
            18   15  16 2
            19   16  17 1
            20   17  18 2
            21   14  18 1
            22   10  19 1
            23    7  20 1
            24   20  21 1

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